N-(2,4-dichlorophenyl)-4-(5-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,4-dichlorophenyl)-4-(5-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,4-dichlorophenyl)-4-(5-nitro-2-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2,4-dichlorophenyl)-4-(5-nitro-2-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,4-dichlorophenyl)-4-(5-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,4-dichlorophenyl)-4-(5-nitro-2-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C17H17Cl2N5O2S MolecularWeight: 426.32018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)Cl)Cl)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)Cl)Cl)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17Cl2N5O2S/c18-12-2-4-15(14(19)10-12)21-17(27)23-7-1-6-22(8-9-23)16-5-3-13(11-20-16)24(25)26/h2-5,10-11H,1,6-9H2,(H,21,27)